- InChI
- InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)21-15-13-16-22(19-21)25(27)29-23-17-11-10-14-20(23)2/h13,15-16,19-20,23H,3-12,14,17-18H2,1-2H3
- InChI Key
- IKESYGHOWXFUSS-UHFFFAOYSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
2CCCCC2C)c1 - Molecular Weight1
- 402.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -188.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Joback Calculated Property |
| log10WS | -8.00 | Crippen Calculated Property | |
| logPoct/wat | 6.720 | Crippen Calculated Property | |
| McVol | 343.370 | ml/mol | McGowan Calculated Property |
| Pc | 1083.49 | kPa | Joback Calculated Property |
| Inp | [3089.00; 3089.00] |
|
|
| Inp | 3089.00 | NIST | |
| Inp | 3089.00 | NIST | |
| Tboil | 970.52 | K | Joback Calculated Property |
| Tc | 1191.66 | K | Joback Calculated Property |
| Tfus | 557.91 | K | Joback Calculated Property |
| Vc | 1.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1180.70; 1256.40] | J/mol×K | [970.52; 1191.66] |
|
| Cp,gas | 1180.70 | J/mol×K | 970.52 | Joback Calculated Property |
| Cp,gas | 1197.54 | J/mol×K | 1007.38 | Joback Calculated Property |
| Cp,gas | 1212.63 | J/mol×K | 1044.23 | Joback Calculated Property |
| Cp,gas | 1226.02 | J/mol×K | 1081.09 | Joback Calculated Property |
| Cp,gas | 1237.75 | J/mol×K | 1117.95 | Joback Calculated Property |
| Cp,gas | 1247.86 | J/mol×K | 1154.81 | Joback Calculated Property |
| Cp,gas | 1256.40 | J/mol×K | 1191.66 | Joback Calculated Property |
| η | [0.0000364; 0.0004367] | Pa×s | [557.91; 970.52] |
|
| η | 0.0004367 | Pa×s | 557.91 | Joback Calculated Property |
| η | 0.0002300 | Pa×s | 626.68 | Joback Calculated Property |
| η | 0.0001375 | Pa×s | 695.45 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 764.21 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 832.98 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 901.75 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 970.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl 2-methylcyclohexyl ester.
Sources
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